ChemSpider 2D Image | (2R,3S,4R,5R)-4-Amino-2-({[(2R,3S,4R,5R)-4-amino-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-(phosphonooxy)tetrahydro-2-furanyl]methoxy}methyl)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)tetrahydro-3-furany l dihydrogen phosphate | C19H28N10O13P2

(2R,3S,4R,5R)-4-Amino-2-({[(2R,3S,4R,5R)-4-amino-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-(phosphonooxy)tetrahydro-2-furanyl]methoxy}methyl)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)tetrahydro-3-furany l dihydrogen phosphate

  • Molecular FormulaC19H28N10O13P2
  • Average mass666.432 Da
  • Monoisotopic mass666.131226 Da
  • ChemSpider ID2339188

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3S,4R,5R)-4-Amino-2-({[(2R,3S,4R,5R)-4-amino-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-(phosphonooxy)tetrahydro-2-furanyl]methoxy}methyl)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)tetrahydro-3-furany l dihydrogen phosphate [ACD/IUPAC Name]
(2R,3S,4R,5R)-4-Amino-2-({[(2R,3S,4R,5R)-4-amino-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-(phosphonooxy)tetrahydro-2-furanyl]methoxy}methyl)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)tetrahydro-3-furany ldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de (2R,3S,4R,5R)-4-amino-2-({[(2R,3S,4R,5R)-4-amino-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-(phosphonooxy)tétrahydro-2-furanyl]méthoxy}méthyl)-5-(4-amino-2-oxo-1(2H)-pyrimid inyl)tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
109679-54-1 [RN]
5'-Guanylic acid, 3'-amino-3'-deoxycytidylyl-(5'-3')-3'-amino-3'-deoxy-
5'-Phosphoryl-(3'-amino-3'-deoxyguanylyl)-(3'-5')-3'-amino-3'-deoxycytidine
Padgdc

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.4±0.1 g/cm3
Boiling Point: 1113.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.6±3.0 kJ/mol
Flash Point: 627.3±37.1 °C
Index of Refraction: 1.953
Molar Refractivity: 132.6±0.5 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -5.80
ACD/LogD (pH 5.5): -8.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 377 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 160.7±7.0 dyne/cm
Molar Volume: 274.0±7.0 cm3

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